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6R4Q

Crystal structure of the periplasmic nickel-binding protein NikA from Escherichia coli in complex with Ru(bpza)CO H2O Cl

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM30A
Synchrotron siteESRF
BeamlineBM30A
Temperature [K]93
Detector technologyCCD
Collection date2015-02-14
DetectorADSC QUANTUM 315r
Wavelength(s)0.979758
Spacegroup nameP 21 21 21
Unit cell lengths86.629, 94.101, 124.418
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution44.520 - 1.900
R-factor0.18036
Rwork0.178
R-free0.23191
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1zlq
RMSD bond length0.009
RMSD bond angle1.560
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0238)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]44.5202.000
High resolution limit [Å]1.9001.900
Number of reflections56436011369
<I/σ(I)>16.06
Completeness [%]99.9
Redundancy7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.62930.1M Na acetate pH 4.6 1.8 M ammonium sulfate

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